4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione

C15H20FN3O2 — CID 66068681

IUPAC4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(c1cccc(F)c1)C(C)N
InChIInChI=1S/C15H20FN3O2/c1-3-12-15(21)18-13(20)8-19(12)14(9(2)17)10-5-4-6-11(16)7-10/h4-7,9,12,14H,3,8,17H2,1-2H3,(H,18,20,21)
InChIKeyIESNOXUEGHKSBA-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.95
Rot. Bonds4

About 4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione

4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione (PubChem CID 66068681) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione
PubChem CID66068681
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(c1cccc(F)c1)C(C)N
InChIInChI=1S/C15H20FN3O2/c1-3-12-15(21)18-13(20)8-19(12)14(9(2)17)10-5-4-6-11(16)7-10/h4-7,9,12,14H,3,8,17H2,1-2H3,(H,18,20,21)
InChIKeyIESNOXUEGHKSBA-UHFFFAOYSA-N
XLogP0.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione (CID 66068681) is 4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(c1cccc(F)c1)C(C)N.
What is the InChIKey of 4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione?
The InChIKey is IESNOXUEGHKSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-3-12-15(21)18-13(20)8-19(12)14(9(2)17)10-5-4-6-11(16)7-10/h4-7,9,12,14H,3,8,17H2,1-2H3,(H,18,20,21).
What are the key properties of 4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione?
4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione has a molecular weight of 293.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(3-fluorophenyl)propyl]-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66068681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).